Basic information
- CAS
38690-78-7- Standard SMILES
CCCCCCc1ccc(C=Nc2ccc(C#N)cc2)cc1- InChIKey
MOXOWUJNSDTVNT-UHFFFAOYSA-N- Molecular formula
- C20H22N2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.1782987
Names & identifiers
- Preferred name
- Benzonitrile, 4-(((4-hexylphenyl)methylene)amino)-
- IUPAC
- 4-[(4-hexylphenyl)methylideneamino]benzonitrile
- English name
- 4-[(4-hexylbenzylidene)amino]benzonitrile
- Molecular formula
- C20H22N2
- Molecular weight
- 290.4
Names & synonyms
EINECS 254-086-1Benzonitrile, 4-[[(4-hexylphenyl)methylene]amino]-Benzonitrile, 4-(((4-hexylphenyl)methylene)amino)-p-((p-Hexylbenzylidine)amino)benzonitrileN-(p-Hexylbenzylidene)-p-aminobenzonitrileDTXSID2068131RefChem:566217DTXCID203954438690-78-74-((4-Hexylbenzylidene)amino)benzonitrileSCHEMBL2551279SCHEMBL8434438
Show more names
N-(p-Hexylbenzylidene)-p-cyanoaniline4-[(4-hexylbenzylidene)amino]benzonitrile
4-{[(4-HEXYLPHENYL)METHYLIDENE]AMINO}BENZONITRILEp-[(p-n-hexylbenzyliden)amino]benzonitrileNS00030442
Database identifiers
- CAS
38690-78-7- PubChem CID
- 170099
- DTXSID
DTXSID2068131- EC Number
- 254-086-1
- Nikkaji
- J180.887G
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 36.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Melting point
- 68 °C · 68 °C
- Boiling point
- 452.1 · 452.1±38.0 °C(Predicted)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- pka
- 2.16 · 2.16±0.50(Predicted)
- EPA Substance Registry System
- 4 · Benzonitrile, 4-[[(4-hexylphenyl)methylene]amino]- (38690-78-7)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzonitrile, 4-[[(4-hexylphenyl)methylene]amino]-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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